2-methyl-5-propyloctan-3-one

C12H24O — CID 130340917

IUPAC2-methyl-5-propyloctan-3-one
SMILESCCCC(CCC)CC(=O)C(C)C
InChIInChI=1S/C12H24O/c1-5-7-11(8-6-2)9-12(13)10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyPFBKHZMWGFCOTO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.82
Rot. Bonds7

About 2-methyl-5-propyloctan-3-one

2-methyl-5-propyloctan-3-one (PubChem CID 130340917) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methyl-5-propyloctan-3-one.

Molecular Properties

Compound Name2-methyl-5-propyloctan-3-one
PubChem CID130340917
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methyl-5-propyloctan-3-one
SMILESCCCC(CCC)CC(=O)C(C)C
InChIInChI=1S/C12H24O/c1-5-7-11(8-6-2)9-12(13)10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyPFBKHZMWGFCOTO-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one
CID 158464298
5-(hydroxymethyl)-2-methylheptan-3-one
CID 158323441
magnesium bis(3-propylhexanoate)
CID 88756226
2-methylpentane;2-methylpentan-3-one
CID 160798944
5-hydroxy-2-methylhexan-3-one
CID 536853
4-propyloctan-2-one
CID 15632958
4-(2-hydroxyethyl)heptan-2-one
CID 143211527
4,8-bis(hydroxymethyl)undecan-6-one
CID 174613691
(4S)-4-ethylheptan-2-one
CID 87332428
2,5-dimethyloctan-4-one
CID 88817499
15-methyl-3,7,11-tripropyloctadecanoic acid
CID 175258437
5-hydroxy-2,8-dimethyldecan-3-one
CID 155640629

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyloctan-3-one?
The IUPAC name of 2-methyl-5-propyloctan-3-one (CID 130340917) is 2-methyl-5-propyloctan-3-one.
What is the SMILES notation for 2-methyl-5-propyloctan-3-one?
The canonical SMILES for 2-methyl-5-propyloctan-3-one is CCCC(CCC)CC(=O)C(C)C.
What is the InChIKey of 2-methyl-5-propyloctan-3-one?
The InChIKey is PFBKHZMWGFCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-11(8-6-2)9-12(13)10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methyl-5-propyloctan-3-one?
2-methyl-5-propyloctan-3-one has a molecular weight of 184.32 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyloctan-3-one is sourced from PubChem (CID 130340917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).